3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C22H24N4O3S — CID 19221516

IUPAC3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(2)18-7-4-17(5-8-18)6-13-21(27)25-19-9-11-20(12-10-19)30(28,29)26-22-23-14-3-15-24-22/h3-5,7-12,14-16H,6,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyMUPZVYXOYYFTLU-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.97
Rot. Bonds8

About 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19221516) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19221516
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(2)18-7-4-17(5-8-18)6-13-21(27)25-19-9-11-20(12-10-19)30(28,29)26-22-23-14-3-15-24-22/h3-5,7-12,14-16H,6,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyMUPZVYXOYYFTLU-UHFFFAOYSA-N
XLogP3.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
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3-phenyl-N-(4-propan-2-ylphenyl)propanamide
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3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19236968
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 19221516) is 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is MUPZVYXOYYFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16(2)18-7-4-17(5-8-18)6-13-21(27)25-19-9-11-20(12-10-19)30(28,29)26-22-23-14-3-15-24-22/h3-5,7-12,14-16H,6,13H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 424.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19221516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).